CID 68951207

925417-04-5

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

CC(C1=NC(=CC=C1)OC)O

InChI

InChI=1S/C8H11NO2/c1-6(10)7-4-3-5-8(9-7)11-2/h3-6,10H,1-2H3

InChIKey

IFPVRGLUSHTEFJ-UHFFFAOYSA-N

Compound name

1-(6-methoxy-2-pyridinyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 153.07898 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	154.086256	130.5
[M+Na]+	176.068198	138.6
[M-H]-	152.071704	131.8
[M+NH4]+	171.112803	149.9
[M+K]+	192.042138	137.5
[M+H-H2O]+	136.076240	124.5
[M+HCOO]-	198.077181	152.1
[M+CH3COO]-	212.092831	174.3
[M+Na-2H]-	174.053646	137.0
[M]+	153.07843142	131.4
[M]-	153.07952858	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe